4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one

C10H16O4 — CID 11344670

IUPAC4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one
SMILESCCC1C(=O)C=CC1(O)C(OC)OC
InChIInChI=1S/C10H16O4/c1-4-7-8(11)5-6-10(7,12)9(13-2)14-3/h5-7,9,12H,4H2,1-3H3
InChIKeyUQADBPORBVYRMP-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.50
Rot. Bonds4

About 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one

4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one (PubChem CID 11344670) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one
PubChem CID11344670
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one
SMILESCCC1C(=O)C=CC1(O)C(OC)OC
InChIInChI=1S/C10H16O4/c1-4-7-8(11)5-6-10(7,12)9(13-2)14-3/h5-7,9,12H,4H2,1-3H3
InChIKeyUQADBPORBVYRMP-UHFFFAOYSA-N
XLogP0.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one (CID 11344670) is 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one is CCC1C(=O)C=CC1(O)C(OC)OC.
What is the InChIKey of 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one?
The InChIKey is UQADBPORBVYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-7-8(11)5-6-10(7,12)9(13-2)14-3/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one?
4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one has a molecular weight of 200.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-5-ethyl-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 11344670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).